(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene

C14H26S — CID 143682674

IUPAC(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene
SMILESC/C=C\C(=C/CCSC)C(C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-7-9-13(10-8-11-15-6)12(2)14(3,4)5/h7,9-10,12H,8,11H2,1-6H3/b9-7-,13-10+
InChIKeyWRGZQSZLAUROIA-FPXYGIGQSA-N
MW226.43 g/mol
LogP4.92
Rot. Bonds5

About (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene

(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene (PubChem CID 143682674) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene
PubChem CID143682674
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene
SMILESC/C=C\C(=C/CCSC)C(C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-7-9-13(10-8-11-15-6)12(2)14(3,4)5/h7,9-10,12H,8,11H2,1-6H3/b9-7-,13-10+
InChIKeyWRGZQSZLAUROIA-FPXYGIGQSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene (CID 143682674) is (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene is C/C=C\C(=C/CCSC)C(C)C(C)(C)C.
What is the InChIKey of (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene?
The InChIKey is WRGZQSZLAUROIA-FPXYGIGQSA-N. The full InChI is InChI=1S/C14H26S/c1-7-9-13(10-8-11-15-6)12(2)14(3,4)5/h7,9-10,12H,8,11H2,1-6H3/b9-7-,13-10+.
What are the key properties of (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene?
(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene has a molecular weight of 226.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene is sourced from PubChem (CID 143682674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).